(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

C15H13BrFNO — CID 43198474

IUPAC(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6,18H2
InChIKeyFHAYKWYJPRPLKF-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.57
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43198474) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43198474
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6,18H2
InChIKeyFHAYKWYJPRPLKF-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43198474) is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is FHAYKWYJPRPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-11-2-3-13(17)12(8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6,18H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 322.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43198474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).